For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
3-pyridinecarboxamide, N-[1-[(1,3-benzodioxol-5-ylmethyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-
SpectraBase Compound ID AbLcK1MN7G7
InChI InChI=1S/C17H13F6N3O3/c18-16(19,20)15(17(21,22)23,26-14(27)11-2-1-5-24-8-11)25-7-10-3-4-12-13(6-10)29-9-28-12/h1-6,8,25H,7,9H2,(H,26,27)
InChIKey WVPBFFFRGHJTSW-UHFFFAOYSA-N
Mol Weight 421.3 g/mol
Molecular Formula C17H13F6N3O3
Exact Mass 421.08611 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Jqjr6eiBm5f
Name 3-pyridinecarboxamide, N-[1-[(1,3-benzodioxol-5-ylmethyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 421.086110266 u
Formula C17H13F6N3O3
InChI InChI=1S/C17H13F6N3O3/c18-16(19,20)15(17(21,22)23,26-14(27)11-2-1-5-24-8-11)25-7-10-3-4-12-13(6-10)29-9-28-12/h1-6,8,25H,7,9H2,(H,26,27)
InChIKey WVPBFFFRGHJTSW-UHFFFAOYSA-N
Molecular Weight 421.299 g/mol
NMR Offset 14.5168
NMR Spectrometer Frequency 300.133
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_253
Solvent CDCl3
Source Vendor ID: ZI/7041446; Lab Info: AU; Lab Number: AU-5001730
Temperature 23.85 °C